Title
Bosonised DFT potential estimated from QMC calculations of the ground-state density for the inhomogeneous electron liquid in Be Bosonised DFT potential estimated from QMC calculations of the ground-state density for the inhomogeneous electron liquid in Be
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
London ,
Subject
Physics
Chemistry
Source (journal)
Physics and chemistry of liquids. - London
Volume/pages
53(2015) :6 , p. 679-684
ISSN
0031-9104
ISI
000357487800001
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
To avoid the solution of numerous Kohn-Sham one-body potential equations for wave functions in density functional theory, various groups independently proposed the use of Pauli potential to bosonise the customary one-body potential theory. Here, we utilise our recent quantum Monte Carlo calculations of the ground-state electron density of the Be atom to estimate the bosonised one-body potential V-B(r) and hence extract the Pauli potential for this atom.
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https://repository.uantwerpen.be/docman/iruaauth/1fbedf/127005.pdf
Handle